3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile

C14H8Cl2FNO — CID 107115182

IUPAC3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile
SMILESN#Cc1cccc(COc2c(Cl)cccc2Cl)c1F
InChIInChI=1S/C14H8Cl2FNO/c15-11-5-2-6-12(16)14(11)19-8-10-4-1-3-9(7-18)13(10)17/h1-6H,8H2
InChIKeyZFOFLEAYTKPZLB-UHFFFAOYSA-N
MW296.13 g/mol
LogP4.58
Rot. Bonds3

About 3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile

3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile (PubChem CID 107115182) has the molecular formula C14H8Cl2FNO and a molecular weight of 296.13 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile
PubChem CID107115182
Molecular FormulaC14H8Cl2FNO
Molecular Weight296.13 g/mol
Exact Mass295.00
IUPAC Name3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile
SMILESN#Cc1cccc(COc2c(Cl)cccc2Cl)c1F
InChIInChI=1S/C14H8Cl2FNO/c15-11-5-2-6-12(16)14(11)19-8-10-4-1-3-9(7-18)13(10)17/h1-6H,8H2
InChIKeyZFOFLEAYTKPZLB-UHFFFAOYSA-N
XLogP4.58
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,6-dichlorophenoxy)methyl]benzonitrile
CID 22688283
2-fluoro-3-[(2,4,6-tribromophenoxy)methyl]benzonitrile
CID 107115160
3-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-2-fluorobenzonitrile
CID 107745776
3-[(4-amino-2-chlorophenoxy)methyl]-2-fluorobenzonitrile
CID 107113722
2-fluoro-3-[[2-methyl-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 107114294
2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile
CID 103886696
2-fluoro-3-[(4-formyl-2,6-dimethylphenoxy)methyl]benzonitrile
CID 107116256
2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile
CID 107118700
3-[[4-(2-aminoethyl)-2-chlorophenoxy]methyl]-2-fluorobenzonitrile
CID 107119201
3-(ethoxymethyl)-2-fluorobenzonitrile
CID 107115085
3-[(3-bromophenoxy)methyl]-2-fluorobenzonitrile
CID 107115105
2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile
CID 107115097

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile?
The IUPAC name of 3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile (CID 107115182) is 3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile.
What is the SMILES notation for 3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile?
The canonical SMILES for 3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile is N#Cc1cccc(COc2c(Cl)cccc2Cl)c1F.
What is the InChIKey of 3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile?
The InChIKey is ZFOFLEAYTKPZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FNO/c15-11-5-2-6-12(16)14(11)19-8-10-4-1-3-9(7-18)13(10)17/h1-6H,8H2.
What are the key properties of 3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile?
3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile has a molecular weight of 296.13 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile is sourced from PubChem (CID 107115182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).